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	hartrees
Energy at 0K	-231.830893
Energy at 298.15K	-231.841613
Nuclear repulsion energy	231.417246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3481	3107	0.40
2	A	3480	3106	2.69
3	A	3476	3102	1.76
4	A	3464	3091	2.52
5	A	3447	3076	10.75
6	A	3418	3051	2.15
7	A	3353	2992	2.94
8	A	3331	2973	4.43
9	A	3318	2961	4.05
10	A	3307	2951	2.95
11	A	1832	1635	0.42
12	A	1690	1508	1.71
13	A	1688	1506	2.63
14	A	1681	1500	0.57
15	A	1666	1487	0.07
16	A	1572	1403	0.58
17	A	1512	1349	3.45
18	A	1455	1299	2.30
19	A	1454	1298	1.43
20	A	1415	1263	4.16
21	A	1407	1256	2.35
22	A	1349	1204	0.62
23	A	1299	1159	0.47
24	A	1227	1095	1.92
25	A	1204	1074	1.25
26	A	1191	1063	2.02
27	A	1150	1026	1.51
28	A	1090	973	0.62
29	A	1057	944	0.61
30	A	1027	916	0.12
31	A	1025	915	0.72
32	A	980	875	1.23
33	A	892	796	1.63
34	A	882	787	0.36
35	A	803	717	0.02
36	A	779	695	14.62
37	A	652	582	4.94
38	A	509	454	1.75
39	A	348	311	0.15
40	A	281	251	0.08
41	A	227	202	0.02
42	A	69	62	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	-0.298	2.246	0.206
C2	0.107	1.228	0.148
H3	2.173	1.609	-0.396
C4	1.367	0.903	-0.160
H5	2.283	-0.881	0.715
H6	2.083	-0.982	-1.050
C7	1.610	-0.613	-0.122
H8	0.160	-1.991	0.864
H9	-0.178	-1.680	-0.856
C10	0.171	-1.216	0.082
H11	-1.001	-0.026	1.541
C12	-0.770	-0.003	0.456
H13	-2.735	0.864	-0.038
H14	-2.697	-0.921	-0.085
H15	-1.951	0.024	-1.406
C16	-2.125	-0.009	-0.319

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0978	2.6216	2.1700	4.0865	4.2032	3.4531	4.3130	4.0688	3.4960	2.7272	2.3117	2.8128	3.9840	3.2052	2.9501
C2	1.0978		2.1702	1.3367	3.0826	3.1971	2.3917	3.2982	3.0887	2.4452	2.1766	1.5419	2.8712	3.5401	2.8463	2.5944
H3	2.6216	2.1702		1.0978	2.7293	2.6739	2.3094	4.3137	4.0686	3.4954	4.0617	3.4620	4.9772	5.4968	4.5327	4.5935
C4	2.1700	1.3367	1.0978		2.1881	2.2038	1.5361	3.2989	3.0882	2.4447	3.0593	2.4009	4.1035	4.4546	3.6516	3.6124
H5	4.0865	3.0826	2.7293	2.1881		1.7788	1.1066	2.4005	3.0260	2.2298	3.4923	3.1870	5.3654	5.0439	4.8213	4.6110
H6	4.2032	3.1971	2.6739	2.2038	1.7788		1.1051	2.8953	2.3739	2.2341	4.1396	3.3713	5.2576	4.8768	4.1732	4.3806
C7	3.4531	2.3917	2.3094	1.5361	1.1066	1.1051		2.2302	2.2067	1.5729	3.1503	2.5237	4.5896	4.3178	3.8389	3.7887
H8	4.3130	3.2982	4.3137	3.2989	2.4005	2.8953	2.2302		1.7800	1.1018	2.3810	2.2329	4.1646	3.1953	3.6975	3.2484
H9	4.0688	3.0887	4.0686	3.0882	3.0260	2.3739	2.2067	1.7800		1.1023	3.0258	2.2098	3.6981	2.7416	2.5201	2.6213
C10	3.4960	2.4452	3.4954	2.4447	2.2298	2.2341	1.5729	1.1018	1.1023		2.2178	1.5802	3.5753	2.8881	2.8731	2.6249
H11	2.7272	2.1766	4.0617	3.0593	3.4923	4.1396	3.1503	2.3810	3.0258	2.2178		1.1092	2.5080	2.5146	3.0966	2.1738
C12	2.3117	1.5419	3.4620	2.4009	3.1870	3.3713	2.5237	2.2329	2.2098	1.5802	1.1092		2.2036	2.2023	2.2054	1.5616
H13	2.8128	2.8712	4.9772	4.1035	5.3654	5.2576	4.5896	4.1646	3.6981	3.5753	2.5080	2.2036		1.7852	1.7862	1.1011
H14	3.9840	3.5401	5.4968	4.4546	5.0439	4.8768	4.3178	3.1953	2.7416	2.8881	2.5146	2.2023	1.7852		1.7863	1.1012
H15	3.2052	2.8463	4.5327	3.6516	4.8213	4.1732	3.8389	3.6975	2.5201	2.8731	3.0966	2.2054	1.7862	1.7863		1.1006
C16	2.9501	2.5944	4.5935	3.6124	4.6110	4.3806	3.7887	3.2484	2.6213	2.6249	2.1738	1.5616	1.1011	1.1012	1.1006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.807	H1	C2	C12	121.350
C2	C4	H3	125.827	C2	C4	C7	112.531
C2	C12	C10	103.097	C2	C12	H11	109.283
C2	C12	C16	113.428	H3	C4	C7	121.627
C4	C2	C12	112.834	C4	C7	H5	110.735
C4	C7	H6	112.074	C4	C7	C10	103.681
H5	C7	H6	107.080	H5	C7	C10	111.460
H6	C7	C10	111.889	C7	C10	H8	111.772
C7	C10	H9	109.902	C7	C10	C12	106.334
H8	C10	H9	107.724	H8	C10	C12	111.472
H9	C10	C12	109.638	C10	C12	H11	109.864
C10	C12	C16	113.329	H11	C12	C16	107.752
C12	C16	H13	110.505	C12	C16	H14	110.398
C12	C16	H15	110.677	H13	C16	H14	108.310
H13	C16	H15	108.434	H14	C16	H15	108.442

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)

using model chemistry: B3LYP/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	H	0.071
2	C	-0.086
3	H	0.072
4	C	-0.085
5	H	0.072
6	H	0.072
7	C	-0.137
8	H	0.069
9	H	0.070
10	C	-0.133
11	H	0.069
12	C	-0.051
13	H	0.072
14	H	0.072
15	H	0.073
16	C	-0.218

	x	y	z	Total
	-0.070	-0.174	0.049	0.193
CHELPG
AIM
ESP

	x	y	z
x	6.275	-0.276	-0.510
y	-0.276	4.865	-0.017
z	-0.510	-0.017	3.540

<r²>	166.454
(<r²>)^1/2	12.902

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)